2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide

C17H21Cl2N3O — CID 86998087

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)C(C)C
InChIInChI=1S/C17H21Cl2N3O/c1-10(2)21(5)17(23)9-14-11(3)20-22(12(14)4)16-7-6-13(18)8-15(16)19/h6-8,10H,9H2,1-5H3
InChIKeyXJUPHKZULGAMGR-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.21
Rot. Bonds4

About 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 86998087) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID86998087
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)C(C)C
InChIInChI=1S/C17H21Cl2N3O/c1-10(2)21(5)17(23)9-14-11(3)20-22(12(14)4)16-7-6-13(18)8-15(16)19/h6-8,10H,9H2,1-5H3
InChIKeyXJUPHKZULGAMGR-UHFFFAOYSA-N
XLogP4.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide (CID 86998087) is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)C(C)C.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is XJUPHKZULGAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O/c1-10(2)21(5)17(23)9-14-11(3)20-22(12(14)4)16-7-6-13(18)8-15(16)19/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 354.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 86998087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).